| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2008 | 18 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-(4-pyridylmethylamino)ethanone 1-(4-methylpiperazin-1-yl)-2-(4-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.55 | 3.62 | -48.22 | 2 | 5 | 1 | 50 | 249.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | 1.28 | -11 | 1 | 5 | 0 | 48 | 248.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | 5.08 | -110.97 | 3 | 5 | 2 | 54 | 250.346 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.55 | 4.08 | -83.7 | 3 | 5 | 2 | 51 | 250.346 | 4 | ↓ |
